(4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide

C26H25F6NO2S — CID 140553232

IUPAC(4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide
SMILESCC(C)(C[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1)S(N)=O
InChIInChI=1S/C26H25F6NO2S/c1-24(2,36(33)34)16-25(15-17-6-4-3-5-7-17,18-8-10-20(27)11-9-18)19-12-21(28)14-22(13-19)35-26(31,32)23(29)30/h3-14,23H,15-16,33H2,1-2H3/t25-,36?/m1/s1
InChIKeyWACKXYXBGWOKRV-NNHKGWTCSA-N
MW529.55 g/mol
LogP6.52
Rot. Bonds10

About (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide

(4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide (PubChem CID 140553232) has the molecular formula C26H25F6NO2S and a molecular weight of 529.55 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide
PubChem CID140553232
Molecular FormulaC26H25F6NO2S
Molecular Weight529.55 g/mol
Exact Mass529.15
IUPAC Name(4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide
SMILESCC(C)(C[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1)S(N)=O
InChIInChI=1S/C26H25F6NO2S/c1-24(2,36(33)34)16-25(15-17-6-4-3-5-7-17,18-8-10-20(27)11-9-18)19-12-21(28)14-22(13-19)35-26(31,32)23(29)30/h3-14,23H,15-16,33H2,1-2H3/t25-,36?/m1/s1
InChIKeyWACKXYXBGWOKRV-NNHKGWTCSA-N
XLogP6.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.55
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide?
The IUPAC name of (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide (CID 140553232) is (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide is CC(C)(C[C@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(OC(F)(F)C(F)F)c1)S(N)=O.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide?
The InChIKey is WACKXYXBGWOKRV-NNHKGWTCSA-N. The full InChI is InChI=1S/C26H25F6NO2S/c1-24(2,36(33)34)16-25(15-17-6-4-3-5-7-17,18-8-10-20(27)11-9-18)19-12-21(28)14-22(13-19)35-26(31,32)23(29)30/h3-14,23H,15-16,33H2,1-2H3/t25-,36?/m1/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide?
(4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide has a molecular weight of 529.55 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-4-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-methyl-5-phenylpentane-2-sulfinamide is sourced from PubChem (CID 140553232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).